Geometry & MOs

Info

ID:	121849
PubChem CID:	50783988
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-132.96
Dipole, Da:	5.15
IP(EA), eV:	-8.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropanecarbonylamino)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CC(=O)N(C)C

DOS

IR

Vibrations